cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate

C20H19BrClNO3 — CID 17128634

IUPACcyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C20H19BrClNO3/c21-14-8-11-18(22)17(12-14)19(24)23-15-9-6-13(7-10-15)20(25)26-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,23,24)
InChIKeyYEXIRSUBRLNMSF-UHFFFAOYSA-N
MW436.73 g/mol
LogP5.84
Rot. Bonds4

About cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate

cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate (PubChem CID 17128634) has the molecular formula C20H19BrClNO3 and a molecular weight of 436.73 g/mol. Its IUPAC name is cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate
PubChem CID17128634
Molecular FormulaC20H19BrClNO3
Molecular Weight436.73 g/mol
Exact Mass435.02
IUPAC Namecyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate
SMILESO=C(OC1CCCCC1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C20H19BrClNO3/c21-14-8-11-18(22)17(12-14)19(24)23-15-9-6-13(7-10-15)20(25)26-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,23,24)
InChIKeyYEXIRSUBRLNMSF-UHFFFAOYSA-N
XLogP5.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
5-[(5-bromo-2-propan-2-yloxybenzoyl)amino]-2-chloro-N-cyclohexylbenzamide
CID 17188557
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate?
The IUPAC name of cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate (CID 17128634) is cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate?
The canonical SMILES for cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate is O=C(OC1CCCCC1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate?
The InChIKey is YEXIRSUBRLNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClNO3/c21-14-8-11-18(22)17(12-14)19(24)23-15-9-6-13(7-10-15)20(25)26-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,23,24).
What are the key properties of cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate?
cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate has a molecular weight of 436.73 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 17128634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).